Basic information
- CAS
13300-63-5- Standard SMILES
O=C(O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1- InChIKey
QKFNYXRBTKWJQW-UHFFFAOYSA-N- Molecular formula
- C7H3Cl2NO4
- Average molar mass
- 236.01 g/mol
- Monoisotopic mass
- 234.943913
Names & identifiers
- Preferred name
- 3,4-Dichloro-5-nitrobenzoic acid
- IUPAC
- 3,4-dichloro-5-nitrobenzoic acid
- English name
- 3,4-dichloro-5-nitrobenzoic acid
- Molecular formula
- C7H3Cl2NO4
- Molecular weight
- 236.01
Names & synonyms
3,4-Dichloro-5-nitrobenzoic acid13300-63-53,4-Dichloro-5-nitro-benzoic acidBenzoic acid, 3,4-dichloro-5-nitro-MFCD03988524BM1-CSCHEMBL29111608SCHEMBL306292523,4-Dichloro-5-nitrobenzoicacidNAA30063BBL025619STL119773
Show more names
TD8202AKOS000118631VS-08032EN300-05617F785187SR-01000044048SR-01000044048-1Z56921773
Database identifiers
- CAS
13300-63-5- PubChem CID
- 458963
- EC Number
- 138-808-1
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Boiling point
- 383 · 383.0±42.0 °C(Predicted)
- Density
- 1.713 · 1.713±0.06 g/cm3(Predicted)
- pka
- 2.98 · 2.98±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses3,4-Dichloro-5-nitrobenzoic acid
Suppliers16 total
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
苏州孚伊洛生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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